1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide

C17H20BrN3O — CID 22031560

IUPAC1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H20BrN3O/c1-20(2)17(22)12-6-9-21(10-7-12)16-5-8-19-15-4-3-13(18)11-14(15)16/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyZDZKYZMGSGBNNS-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.30
Rot. Bonds2

About 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide

1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 22031560) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID22031560
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H20BrN3O/c1-20(2)17(22)12-6-9-21(10-7-12)16-5-8-19-15-4-3-13(18)11-14(15)16/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyZDZKYZMGSGBNNS-UHFFFAOYSA-N
XLogP3.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 22031560) is 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2ccnc3ccc(Br)cc23)CC1.
What is the InChIKey of 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is ZDZKYZMGSGBNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-20(2)17(22)12-6-9-21(10-7-12)16-5-8-19-15-4-3-13(18)11-14(15)16/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 22031560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).